O=C1C=C2C(CC=CCN2Cc2ccc(Cl)nc2)O1
SMILES: O=C1C=C2C(CC=CCN2Cc2ccc(Cl)nc2)O1

Molecular Processing

Molecular formula
C14H13ClN2O2
Molecular weight
276.72
Exact mass
276.0666
XLogP
2.31
TPSA
42.43
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
71.38

Supplementary Information

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